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CHEBI:72479 - halistanol sulfonic acid G

Default Structure
ChEBI IDCHEBI:72479
ChEBI Namehalistanol sulfonic acid G
Stars
DefinitionA steroid sulfate that is 5α-ergostane substituted by sulfate groups at positions 2, 3 and 6 (the (2β,3α,6α stereoisomer).
Last Modified18 February 2013
Submitternamrata
DownloadsMolfile
FormulaC28H50O12S3
Net Charge0
Average Mass674.897
Monoisotopic Mass674.24644
SMILES[H][C@@]12C[C@H](OS(=O)(=O)O)[C@@]3([H])C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](C)C(C)C
InChIInChI=1S/C28H50O12S3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-13-24(38-41(29,30)31)23-14-25(39-42(32,33)34)26(40-43(35,36)37)15-28(23,6)22(19)11-12-27(20,21)5/h16-26H,7-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
InChIKeyWBHAMVHLRVKJRH-VZAWWNCJSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV-2 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-2, the less infective and less virulent of the two types of HIV virus.
anti-HIV-1 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfonic acid G (CHEBI:72479) has parent hydride 5α-ergostane (CHEBI:20652)
halistanol sulfonic acid G (CHEBI:72479) has role anti-HIV-1 agent (CHEBI:64947)
halistanol sulfonic acid G (CHEBI:72479) has role anti-HIV-2 agent (CHEBI:64949)
halistanol sulfonic acid G (CHEBI:72479) has role metabolite (CHEBI:25212)
halistanol sulfonic acid G (CHEBI:72479) is a steroid sulfate (CHEBI:16158)
halistanol sulfonic acid G (CHEBI:72479) is conjugate acid of halistanol sulfate G(3−) (CHEBI:72478)
Incoming Relation(s)
halistanol sulfate G(3−) (CHEBI:72478) is conjugate base of halistanol sulfonic acid G (CHEBI:72479)
IUPAC Name 
(2β,3α,5α,6α)-ergostane-2,3,6-triyl tris(hydrogen sulfate)